CID 95380

N-sec-butylphthalimide

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CCC(C)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H13NO2/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12(13)15/h4-8H,3H2,1-2H3

InChIKey

ZTXOTHWCDVUQRM-UHFFFAOYSA-N

Compound name

2-butan-2-ylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 94
Patents: 203.09464 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.10192	144.5
[M+Na]+	226.08386	156.6
[M+NH4]+	221.12846	152.6
[M+K]+	242.05780	152.3
[M-H]-	202.08736	145.4
[M+Na-2H]-	224.06931	148.5
[M]+	203.09409	146.3
[M]-	203.09519	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe